ACCESSION: MSBNK-AGILENT-AG000036
RECORD_TITLE: Imazapyr; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Imazapyr
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₅N₃O₃
CH$EXACT_MASS: 261.11134
CH$SMILES: CC1(N=C(NC1=O)C1=NC=CC=C1C(O)=O)C(C)C
CH$IUPAC: InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)
CH$LINK: CAS 81334-34-1
CH$LINK: CHEMSPIDER 49445
CH$LINK: INCHIKEY CLQMBPJKHLGMQK-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 262.1186178193
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00lb-5900000000-74bdfda1a9cc5c5e3ffc
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  56.049476 3.043276 30
  58.065126 1.590571 15
  67.054227 2.822073 28
  69.069877 98.011112 979
  70.065126 3.431317 34
  71.072951 12.346347 123
  76.018175 3.48785 34
  78.033826 48.637653 485
  79.041651 5.281687 52
  80.049476 1.395731 13
  86.096426 63.556854 634
  92.049476 2.839552 28
  93.044725 1.174306 11
  103.029075 43.993838 439
  104.0369 14.664626 146
  105.044725 17.115848 170
  106.02874 11.810059 117
  107.060375 1.176631 11
  119.057695 1.155825 11
  129.044725 1.262934 12
  130.065126 1.474294 14
  131.023989 100 999
  133.039639 18.420708 184
  136.039305 1.135624 11
  147.055289 64.253589 641
  148.050538 8.346845 83
  149.034554 56.866092 568
  156.0682 1.712273 17
  171.091675 1.215638 12
  173.059706 1.699893 16
  174.066188 22.204859 221
  184.063114 1.513676 15
  191.068928 1.92339 19
  199.086589 2.332674 23
  202.061103 13.161316 131
//